4-[1-(3,6-Dihydro-1(2H)-Pyrazinyl)-1-Hydroxyethyl]-7-[3-(Trifluoromethyl)Phenyl]-4,5-Dihydropyrazolo[1,5-A]Pyrimidine-3-Carbonitrile

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Properties Simple | Detailed

Formula C20H19F3N6O
IUPAC Name 4-[(1r)-1-[(4s)-3,5-dihydro-2h-pyrazin-4-yl]-1-hydroxy-ethyl]-7-[3-(trifluoromethyl)phenyl]-5h-pyrazolo[1,5-a]pyrimidin-8-ium-1-ide-3-carbonitrile
Molecular Mass 416.400 g·mol−1
Heat of Formation -251.7 ± 16.7 kJ·mol−1
Dipole Moment 7.46 ± 1.08 D
Volume 462.07 Å 3
Surface Area 380.17 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey GSQLHOYEWAKULC-LJQANCHMSA-N
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Elements H C N O F